Geometry & MOs

Info

ID:	166995
PubChem CID:	74763496
Reduced:	ON8C20H22 (1)
Stoich.:	AB8C20D22 (1)
Weight, g/mol:	389.196408
ΔH_f, kcal/mol:	73.06
Dipole, Da:	4.34
IP(EA), eV:	-8.77(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[8-(1H-indol-6-yl)-9-methylpurin-6-yl]amino]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC2=C3C(=NC=N2)N(C(=N3)C4=CC5=C(C=C4)NN=C5)C

DOS

IR

Vibrations